(2R,6S)-N-(2,5-dimethylpyrazol-3-yl)-6-methyl-piperidin-1-ium-2-carboxamide

Systemtic Name: (2R,6S)-N-(2,5-dimethylpyrazol-3-yl)-6-methyl-piperidin-1-ium-2-carboxamide Openeye Name: (2R,6S)-N-(2,5-dimethylpyrazol-3-yl)-6-methyl-piperidin-1-ium-2-carboxamide CAS Name: (2R,6S)-N-(2,5-dimethyl-3-pyrazolyl)-6-methyl-2-piperidin-1-iumcarboxamide IUPAC Name: (2R,6S)-N-(2,5-dimethylpyrazol-3-yl)-6-methylpiperidin-1-ium-2-carboxamide Traditional Name: (2R,6S)-N-(2,5-dimethylpyrazol-3-yl)-6-methyl-piperidin-1-ium-2-carboxamide Formula: C12H21N4O+ MolecularWeight: 237.32134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH2+]1)C(=O)NC2=CC(=NN2C)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH2+]1)C(=O)NC2=CC(=NN2C)C

InChI

InChI=1S/C12H20N4O/c1-8-5-4-6-10(13-8)12(17)14-11-7-9(2)15-16(11)3/h7-8,10,13H,4-6H2,1-3H3,(H,14,17)/p+1/t8-,10+/m0/s1